SCHEMBL3201369

SCHEMBL3201369

NC(=O)c1ccc(Cl)cc1C(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.56
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
SARM1 Q6SZW1 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28232 0.85 CCR9 (0.58) CCR9RAB9AALDH1A1MEN1KMT2A
SCHEMBL7397552 0.84 CCR9 (0.54) CCR9RAB9AALDH1A1MEN1KMT2A
SCHEMBL3481961 0.84 RAB9A (0.62) CCR9RAB9AALDH1A1MEN1KMT2A
SCHEMBL14419269 0.82 KCNMA1 (0.60) CCR9RAB9AALDH1A1MEN1KMT2A
SCHEMBL2169680 0.82 KDM4E (0.53) CCR9RAB9AALDH1A1MEN1KMT2A
SCHEMBL1720708 0.82 S100B (0.57) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL14419272 0.78 MAPK1 (0.64) CCR9RAB9AALDH1A1MEN1KMT2A
SCHEMBL8309926 0.75 RAB9A (0.50) CCR9RAB9AALDH1A1MEN1KMT2A
SCHEMBL15646031 0.75 PKM (0.64) CCR9RAB9AALDH1A1MEN1KMT2A
SCHEMBL6665398 0.75 ALDH1A1 (0.59) CCR9RAB9AALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMECEUTICALS INC (US) 2016-03-10 US disclosed
EP-1507756-B1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2015-07-22 EP disclosed
US-9035096-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-19 US disclosed
US-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-8569543-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110313000-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-23 US disclosed
US-20100280074-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
US-7820717-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-7659272-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed
US-20090054495-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20080103180-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-01 US disclosed
US-7282502-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-16 US disclosed
US-7238717-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 US disclosed
US-20060167251-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2006-07-27 US disclosed
EP-1507756-A4 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP disclosed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110313000-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885
US-20100280074-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885
US-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885
US-20090054495-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885
US-20080103180-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885RAB9A 871/4885ALDH1A1 2607/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.